5-pentyl-2-[2-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]pyrimidine

C15H19F3N2O — CID 154524312

IUPAC5-pentyl-2-[2-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]pyrimidine
SMILESCCCCCc1cnc(C2=COC(C(F)(F)F)CC2)nc1
InChIInChI=1S/C15H19F3N2O/c1-2-3-4-5-11-8-19-14(20-9-11)12-6-7-13(21-10-12)15(16,17)18/h8-10,13H,2-7H2,1H3
InChIKeyNLQACXNYGCTGBG-UHFFFAOYSA-N
MW300.32 g/mol
LogP4.29
Rot. Bonds5

About 5-pentyl-2-[2-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]pyrimidine

5-pentyl-2-[2-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]pyrimidine (PubChem CID 154524312) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-pentyl-2-[2-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]pyrimidine.

Molecular Properties

Compound Name5-pentyl-2-[2-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]pyrimidine
PubChem CID154524312
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name5-pentyl-2-[2-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]pyrimidine
SMILESCCCCCc1cnc(C2=COC(C(F)(F)F)CC2)nc1
InChIInChI=1S/C15H19F3N2O/c1-2-3-4-5-11-8-19-14(20-9-11)12-6-7-13(21-10-12)15(16,17)18/h8-10,13H,2-7H2,1H3
InChIKeyNLQACXNYGCTGBG-UHFFFAOYSA-N
XLogP4.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-difluoro-3,4-dihydropyran-5-yl)-5-pentylpyrimidine
CID 154524207
5-pentyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839743
5-nonyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839661
2-(4-heptylphenyl)-5-[2-(4-nonylcyclohexyl)ethyl]pyrimidine
CID 54214965
5-nonyl-2-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]pyrimidine
CID 23355742
5-[2-(4-ethylcyclohexyl)ethyl]-2-(4-nonylphenyl)pyrimidine
CID 54448604
2-[4-(4-butylcyclohexyl)-3-fluorophenyl]-5-octylpyrimidine
CID 21271038
5-tetradecyl-2-(4-tridecylphenyl)pyrimidine
CID 139803490
5-dodecyl-2-(4-hexylphenyl)pyrimidine
CID 139803450
2-(4-dodecylphenyl)-5-pentadecylpyrimidine
CID 139803541
5-hexyl-2-(4-nonylphenyl)pyrimidine
CID 14227569
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-2-[2-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]pyrimidine?
The IUPAC name of 5-pentyl-2-[2-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]pyrimidine (CID 154524312) is 5-pentyl-2-[2-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]pyrimidine.
What is the SMILES notation for 5-pentyl-2-[2-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]pyrimidine?
The canonical SMILES for 5-pentyl-2-[2-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]pyrimidine is CCCCCc1cnc(C2=COC(C(F)(F)F)CC2)nc1.
What is the InChIKey of 5-pentyl-2-[2-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]pyrimidine?
The InChIKey is NLQACXNYGCTGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-2-3-4-5-11-8-19-14(20-9-11)12-6-7-13(21-10-12)15(16,17)18/h8-10,13H,2-7H2,1H3.
What are the key properties of 5-pentyl-2-[2-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]pyrimidine?
5-pentyl-2-[2-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]pyrimidine has a molecular weight of 300.32 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-2-[2-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]pyrimidine is sourced from PubChem (CID 154524312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).